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Title: Light-activated binary nucleotide reagent for inactivation of DNA polymerase.
Creator: Cornett, Evan, ,, University of Central Florida
Abstract / Description: This work explores a binary reagent approach to increase the specificity of covalent inhibitors. In this approach, two ligand analogs equipped with inert pre-reactive groups specifically bind a target biopolymer. The binding event brings the pre-reactive groups in proximity with each other. The two groups react, generating active chemical intermediates that covalently modify and inactivate the target. In the present study we compare the new approach with the traditional single-component...
Show moreThis work explores a binary reagent approach to increase the specificity of covalent inhibitors. In this approach, two ligand analogs equipped with inert pre-reactive groups specifically bind a target biopolymer. The binding event brings the pre-reactive groups in proximity with each other. The two groups react, generating active chemical intermediates that covalently modify and inactivate the target. In the present study we compare the new approach with the traditional single-component reagent strategy using DNA polymerase from bacteriophage T4 as a model target biopolymer. We report the design and synthesis of two analogs of deoxythymidine triphosphate, a natural DNA polymerase substrate. Together, the analogs function as a binary nucleotide reagent which is activated by light with wavelengths 365 nm and longer. However, the active analog functions as a traditional single component reagent when activated by light with wavelengths at 300 nm and longer. The traditional single-component reagent efficiently inactivated DNA polymerase. However, in the presence of non-target protein the inactivation efficiency is greatly diminished. Under the same conditions, the binary nucleotide reagent also inactivated DNA polymerase, and the inactivation efficiency is not affected by the presence of the non-target protein. Our results validate that a binary approach can be employed to design highly specific covalent inhibitors. The binary reagent strategy might be useful as a research tool for investigation of ligand-protein interactions in complex biological systems and for drug design.
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Date Issued: 2012
Identifier: CFE0004366, ucf:49429
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004366

Title: CHARACTERIZATION OF PROTEIN PRENYLTRANSFERASESAND PROTEIN PRENYLATION INPLASMODIUM FALCIPARUM.
Creator: DaSilva, Thiago Gaspar, Dobopam Chakrabarti, Dr, University of Central Florida
Abstract / Description: Malaria kills at least one million people each year, mostly children - a death every 30 seconds. Almost one half of the world population is at risk from malaria. Antimalarial drugs are the only means for the treatment of about 500 million annual global malaria cases. Because of prevalent drug-resistance it is extremely urgent to identify new drug targets. Many proteins involved in eukaryotic signal transduction and cell cycle progression undergo post-translational lipid modification by a...
Show moreMalaria kills at least one million people each year, mostly children - a death every 30 seconds. Almost one half of the world population is at risk from malaria. Antimalarial drugs are the only means for the treatment of about 500 million annual global malaria cases. Because of prevalent drug-resistance it is extremely urgent to identify new drug targets. Many proteins involved in eukaryotic signal transduction and cell cycle progression undergo post-translational lipid modification by a prenyl group. Protein prenyltransferases, which catalyze the post-translational prenyl modification, have been established as a target for anticancer therapy. Research done in our laboratory has demonstrated recently that prenyl modification of proteins could be a novel target for the development of antimalarial drugs.The goal of this study is to understand the molecular mechanism of protein prenylation in Plasmodium. The key to use of prenyltransferase inhibitors for the pharmacological intervention is a thorough understanding of the in vivo prenylation pathways in the malaria parasite. Knowledge of the physiological functions of the cellular protein substrates of malarial prenyltransferases is an important first step in the elucidation of the mechanism of antimalarial action of inhibitors of protein prenylation. The research described in this thesis revealed the evidence for the existence of farnesylated and geranylgeranylated malaria parasite proteins. The study shows that the dynamics of protein prenylation changes with the intraerythrocytic development cycle of the parasite. We detected that prenylated proteins in the 50 kDa range were mostly farnesylated and that the proteins in the 22-25 kDa range were mostly geranylgeranylated. The prenylation of P. falciparum proteins is inhibited by prenyltransferase inhibitors. We have also demonstrated unique features of protein prenylation in P. falciparum compared to the human host such as farnesylation of proteins are sensitive to inhibition by geranylgeranyltransferase inhibitors.. In-silico search of the malarial genome sequence identified potential protein prenyltransferase substrates. One of these substrates is a SNARE protein Ykt6 homologue. The malarial Ykt6 was recombinantly expressed and subjected to an in-vitro prenylation assay. We showed that the recombinant Ykt6 was indeed a substrate for the malarial prenyltransferase.
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Date Issued: 2004
Identifier: CFE0000100, ucf:46182
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0000100

Title: A Binary Approach for Selective Recognition of Nucleic Acids and Proteins.
Creator: Cornett, Evan, Kolpashchikov, Dmitry, Self, William, Ye, Jingdong, University of Central Florida
Abstract / Description: The design of probes for the selective recognition of biopolymers (nucleic acids and proteins) is a fundamental task for studying, diagnosing, and treating diseases. Traditional methods utilize a single component (small molecule or oligonucleotide) that binds directly to the target biopolymer. However, many biopolymers are unable to be targeted with this approach. The overarching goal of this dissertation is to explore a new, binary approach for designing probes. The binary approach requires...
Show moreThe design of probes for the selective recognition of biopolymers (nucleic acids and proteins) is a fundamental task for studying, diagnosing, and treating diseases. Traditional methods utilize a single component (small molecule or oligonucleotide) that binds directly to the target biopolymer. However, many biopolymers are unable to be targeted with this approach. The overarching goal of this dissertation is to explore a new, binary approach for designing probes. The binary approach requires two components that cooperatively bind to the target, triggering a recognition event. The requisite binding of two-components allows the probes to have excellent selectivity and modularity.The binary approach was applied to design a new sensor, called operating cooperatively (OC) sensor, for recognition of nucleic acids, including selectively differentiating between single nucleotide polymorphisms (SNPs). An OC sensor contains two oligonucleotide probe strands, called O and C, each with two domains. The first domain contains a target recognition sequence, whereas the second domain is complementary to a molecular beacon (MB) probe. Binding of both probe strands to the fully matched analyte generates a full MB probe recognition site, allowing a MB to bind and report the presence of the target analyte. Importantly, we show that the OC sensor selectively discriminates between single nucleotide polymorphisms (SNPs) in DNA and RNA targets at room temperature, including those with stable secondary structures. Furthermore, the combinatorial use of OC sensors to create a DNA logic gate capable of analyzing DNA sequences of Mycobacterium tuberculosis is described.The binary approach was also applied to design covalent inhibitors for HIV-1 reverse transcriptase (RT). In this application, two separate pre-reactive groups were attached to a natural RT ligand, deoxythymidine triphosphate (dTTP). Upon binding of both dTTP analogs in the RT active site, the pre-reactive groups are brought into the proper proximity and react with each other forming an intermediate that subsequently reacts with an amino acid side chain from the RT. This leads to covalent modification of RT, and inhibition of its DNA polymerase activity. This concept was tested in vitro using dTTP analogs containing pre-reactive groups derived from ?-lactamase inhibitors clavulanic acid (CA) and sulbactam (SB). Importantly, our in vitro assays show that CA based inhibitors are more potent than zidovudine (AZT), a representative of the dominant class of RT inhibitors currently used in anti-HIV therapy. Furthermore, molecular dynamics simulations predict that complexes of RT with these analogs are stable, and point to possible reaction mechanisms. The inhibitors described in this work may serve as the basis for the development of the first covalent inhibitors for RT. Moreover, the pre-reactive groups used in this study can be used to design covalent inhibitors for other targets by attaching them to different ligands. Overall, the work presented herein establishes the binary approach as a straightforward way to develop new probes to selectively recognize nucleic acids and proteins.
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Date Issued: 2015
Identifier: CFE0006031, ucf:51010
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0006031

Title: BIOSTABILITY IN DRINKING WATER DISTRIBUTION SYSTEMS IN A CHANGING WATER QUALITY ENVIRONMENT USING CORROSION INHIBITORS.
Creator: Zhao, Bingjie, Randall, Andrew, University of Central Florida
Abstract / Description: In this study, the bacterial growth dynamics of 14 pilot drinking water distribution systems were studied in order to observe water quality changes due to corrosion inhibitor addition. Empirical models were developed to quantity the effect of inhibitor type and dose on bacterial growth (biofilm and bulk water). Water and pipe coupon samples were taken and examined during the experiments. The coupons were exposed to drinking water at approximately 20 °C for at least 5 weeks to allow the...
Show moreIn this study, the bacterial growth dynamics of 14 pilot drinking water distribution systems were studied in order to observe water quality changes due to corrosion inhibitor addition. Empirical models were developed to quantity the effect of inhibitor type and dose on bacterial growth (biofilm and bulk water). Water and pipe coupon samples were taken and examined during the experiments. The coupons were exposed to drinking water at approximately 20 °C for at least 5 weeks to allow the formation of a measurable quasi- steady-state biofilm. Bulk water samples were taken every week. In this study, two simple but practical empirical models were created. Sensitivity analysis for the bulk HPC model (for all 14 of the PDSs) showed that maintaining a chloramine residual at 2.6 mg/L instead of 1.1 mg/L would decrease bulk HPC by anywhere from 0.5 to 0.9 log, which was greater than the increase in bulk HPC from inhibitor addition at 0.31 to 0.42 log for Si and P based inhibitors respectively. This means that maintaining higher residual levels can counteract the relatively modest increases due to inhibitors. BF HPC was affected by pipe material, effluent residual and temperature in addition to a small increase due to inhibitor addition. Biofilm density was most affected by material type, with polyvinyl chloride (PVC) biofilm density consistently much lower than other materials (0.66, 0.92, and 1.22 log lower than lined cast iron (LCI), unlined cast iron (UCI), and galvanized steel (G), respectively). Temperature had a significant effect on both biofilm and bulk HPC levels but it is not practical to alter temperature for public drinking water distribution systems so temperature is not a management tool like residual. This study evaluated the effects of four different corrosion inhibitors (i.e. based on either phosphate or silica) on drinking water distribution system biofilms and bulk water HPC levels. Four different pipe materials were used in the pilot scale experiments, polyvinyl chloride (PVC), lined cast iron (LCI), unlined cast iron (UCI), and galvanized steel (G). Three kinds of phosphate based and one silica based corrosion inhibitors were added at concentrations typically applied in a drinking water distribution system for corrosion control. The data showed that there was a statistically significant increase of 0.34 log in biofilm bacterial densities (measured as HPC) with the addition of any of the phosphate based inhibitors (ortho-phosphorus, blended ortho-poly-phosphate, and zinc ortho-phosphate). A silica based inhibitor resulted in an increase of 0.36 log. The biological data also showed that there was a statistically significant increase in bulk water bacterial densities (measured as heterotrophic plates count, HPC) with the addition of any of the four inhibitors. For bulk HPC this increase was relatively small, being 15.4% (0.42 log) when using phosphate based inhibitors, and 11.0% (0.31 log) for the silica based inhibitor. Experiments with PDS influent spiked with phosphate salts, phosphate based inhibitors, and the silicate inhibitor showed that the growth response of P17 and NOx in the AOC test was increased by addition of these inorganic compounds. For this source water and the PDSs there was more than one limiting nutrient. In addition to organic compounds phosphorus was identified as a nutrient stimulating growth, and there was also an unidentified nutrient in the silica based inhibitor. However since the percentage increases due to inhibitors were no greater than 15% it is unlikely that this change would be significant for the bulk water microbial quality. In addition it was shown that increasing the chloramines residual could offset any additional growth and that the inhibitors could help compliance with the lead and copper rule. However corrosion inhibitors might result in an increase in monitoring and maintenance requirements, particularly in dead ends, reaches with long HRTs, and possibly storage facilities. In addition it is unknown what the effect of corrosion inhibitors are on the growth of coliform bacteria and opportunistic pathogens relative to ordinary heterotrophs. A method was developed to monitor precision for heterotrophic plate count (HPC) using both blind duplicates and lab replicates as part of a project looking at pilot drinking water distribution systems. Precision control charts were used to monitor for changes in assay variability with time just as they are used for chemical assays. In adapting these control charts for the HPC assay, it was determined that only plate counts ≥ 30 cfu per plate could be used for Quality Assurance (QA) purposes. In addition, four dilutions were used for all known Quality Control (QC) samples to insure counts usable for QC purposes would be obtained. As a result there was a 50% increase in the required labor for a given number of samples when blind duplicates and lab replicates were run in parallel with the samples. For bulk water HPCs the distributions of the duplicate and replicate data were found to be significantly different and separate control charts were used. A probability based analysis for setting up the warning limit (WL) and control limit (CL) was compared with the method following National Institute of Standard and Technology (NIST) guidelines.
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Date Issued: 2007
Identifier: CFE0001947, ucf:47452
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0001947

Title: A chemical and genetic approach to study the polyamine transport system in Drosophila.
Creator: Wang, Minpei, Vonkalm, Laurence, Phanstiel, Otto, Teter, Kenneth, Ballantyne, John, University of Central Florida
Abstract / Description: Polyamines are small cationic molecules that play important roles in most vital cellular processes including cell growth and proliferation, regulation of chromatin structure, translation and programmed cell death. Cellular polyamine pools are maintained by a balance between biosynthesis and transport (export and import). Increased polyamine biosynthesis activity and an active transport system are characteristics of many cancer cell lines, and polyamine depletion has been shown to be a viable...
Show morePolyamines are small cationic molecules that play important roles in most vital cellular processes including cell growth and proliferation, regulation of chromatin structure, translation and programmed cell death. Cellular polyamine pools are maintained by a balance between biosynthesis and transport (export and import). Increased polyamine biosynthesis activity and an active transport system are characteristics of many cancer cell lines, and polyamine depletion has been shown to be a viable anticancer strategy. Polyamine levels can be depleted by ?-difluoromethylornithine (DFMO), an inhibitor of the key polyamine biosynthesis enzyme ornithine decarboxylase. However, malignant cells often circumvent DFMO therapy by up-regulating polyamine import; therefore, there is a need to develop compounds that inhibit polyamine transport. Collectively, DFMO and polyamine transport inhibitors provide the basis for a combination therapy leading to effective intracellular polyamine depletion. Using a Drosophila leg imaginal disc model for polyamine transport, I studied three candidate transport inhibitors (Ant444, Trimer44 and Triamide44) for their ability to inhibit transport in the Drosophila model. Ant444 and Trimer44 effectively inhibited the uptake of the toxic polyamine analog Ant44 that gains entry to cells via the polyamine transport system. Ant444 and Trimer44 were also able to inhibit the import of exogenous polyamines into DFMO-treated imaginal discs. Triamide44 was an ineffective inhibitor, however a structurally redesigned compound, Triamide444, showed a 50-fold increase in transport inhibition and was comparable to Ant444 and Trimer44. Ant444 and Trimer44 showed differences in their relative abilities to block import of specific polyamines, and I therefore asked if a cocktail of these inhibitors would be more effective than either alone. My data show that a cocktail of polyamine transport inhibitors is more effective than single inhibitors when used in combination with DFMO, and suggests the existence of multiple polyamine transport systems. To further the development of effective transport inhibitors it is important to identify components of the transport system. The mechanism of polyamine transport in multicellular organisms including mammals is still unknown. Our laboratory has developed a simple assay to detect components of the transport system using RNAi knockdown and over-expression of candidate genes. However, the assay requires that animals live until the pupal stage of development. Pleiotropic effects of individual gene products following over-expression or knockdown may result in early developmental lethality for reasons unrelated to polyamine transport. Our assay is based on the GAL4/UAS system and involves the use of enhancers driving GAL4 expression (GAL4 driver). GAL4 in turn determines the expression level of UAS-candidate gene constructs (UAS responder). I reasoned that in some cases it might be possible to bypass early lethality by judicious choice of drivers that reduce responder expression, thus permitting survival to the pupal phase. To this end, I used five imaginal disc drivers (30A, 71B, 32B, 69B, and T80) as well as a ubiquitously expressed control driver to over-express and knockdown EGFR and components of the Rho signaling pathway. The relative strength of each driver was ranked, and I was able to demonstrate in principle that animals could survive to later stages of development in a manner that correlated with the relative strength of the driver. The approach I developed is broadly applicable to other studies of Drosophila development.To identify new components of the polyamine transport system I studied the role of proteoglycans in this process. The proteoglycan glypican-1 has been previously implicated in mammalian polyamine transport. In particular, the heparin sulfate side chains of glypican-1 appear to play an important role. In order to extend our knowledge of the role of proteoglycans in polyamine transport, I examined the role of the core proteoglycans perlecan and syndecan as well as genes encoding enzymes in the heparin sulfate and chondroitin sulfate biosynthetic pathways. I was able to confirm a role for glypican-1 in polyamine transport in imaginal discs but not in whole animals. This may indicate that glypican-1 is not required for polyamine uptake through the gut. Studies of genes encoding perlecan, syndecan and enzymes in the heparin sulfate and chondroitin sulfate biosynthetic pathways did not reveal a role for these genes in polyamine transport. These studies were conducted in whole animals and my data may reflect tissue-specific differences between the imaginal disc and gut transport systems where transport in imaginal discs is proteoglycan dependent and transport in the gut is not.
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Date Issued: 2017
Identifier: CFE0007297, ucf:52162
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0007297

Title: IMPACT OF ZINC ORTHOPHOSPHATE INHIBITOR ONDISTRIBUTION SYSTEM WATER QUALITY.
Creator: Guan, Xiaotao, Taylor, James, University of Central Florida
Abstract / Description: This dissertation consists of four papers concerning impacts of zinc orthophosphate (ZOP) inhibitor on iron, copper and lead release in a changing water quality environment. The mechanism of zinc orthophosphate corrosion inhibition in drinking water municipal and home distribution systems and the role of zinc were investigated. Fourteen pilot distribution systems (PDSs) which were identical and consisted of increments of PVC, lined cast iron, unlined cast iron and galvanized steel pipes were...
Show moreThis dissertation consists of four papers concerning impacts of zinc orthophosphate (ZOP) inhibitor on iron, copper and lead release in a changing water quality environment. The mechanism of zinc orthophosphate corrosion inhibition in drinking water municipal and home distribution systems and the role of zinc were investigated. Fourteen pilot distribution systems (PDSs) which were identical and consisted of increments of PVC, lined cast iron, unlined cast iron and galvanized steel pipes were used in this study. Changing quarterly blends of finished ground, surface and desalinated waters were fed into the pilot distribution systems over a one year period. Zinc orthophosphate inhibitor at three different doses was applied to three PDSs. Water quality and iron, copper and lead scale formation was monitored for the one year study duration. The first article describes the effects of zinc orthophosphate (ZOP) corrosion inhibitor on surface characteristics of iron corrosion products in a changing water quality environment. Surface compositions of iron surface scales for iron and galvanized steel coupons incubated in different blended waters in the presence of ZOP inhibitor were investigated using X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM) / Energy Dispersive X-ray Spectroscopy (EDS). Based on surface characterization, predictive equilibrium models were developed to describe the controlling solid phase and mechanism of ZOP inhibition and the role of zinc for iron release. The second article describes the effects of zinc orthophosphate (ZOP) corrosion inhibitor on total iron release in a changing water quality environment. Development of empirical models as a function of water quality and ZOP inhibitor dose for total iron release and mass balances analysis for total zinc and total phosphorus data provided insight into the mechanism of ZOP corrosion inhibition regarding iron release in drinking water distribution systems. The third article describes the effects of zinc orthophosphate (ZOP) corrosion inhibitor on total copper release in a changing water quality environment. Empirical model development was undertaken for prediction of total copper release as a function of water quality and inhibitor dose. Thermodynamic models for dissolved copper based on surface characterization of scale that were generated on copper coupons exposed to ZOP inhibitor were also developed. Surface composition was determined by X-ray Photoelectron Spectroscopy (XPS). The fourth article describes the effects of zinc orthophosphate (ZOP) corrosion inhibitor on total lead release in a changing water quality environment. Surface characterization of lead scale on coupons exposed to ZOP inhibitor by X-ray Photoelectron Spectroscopy (XPS) was utilized to identify scale composition. Development of thermodynamic model for lead release based on surface analysis results provided insight into the mechanism of ZOP inhibition and the role of zinc.
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Date Issued: 2007
Identifier: CFE0001931, ucf:47453
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0001931

Title: EFFECTS OF SOURCE WATER BLENDING FOLLOWING TREATMENT WITH SODIUM SILICATE AS A CORROSION INHIBITOR ON METAL RELEASE WITHIN A WATER DISTRIBUTION SYSTEM.
Creator: Lintereur, Phillip, Duranceau, Steven, University of Central Florida
Abstract / Description: A study was conducted to investigate and quantify the effects of corrosion inhibitors on metal release within a pilot distribution system while varying the source water. The pilot distribution system consisted of pre-existing facilities from Taylor et al (2005). Iron, copper, and lead release data were collected during four separate phases of operation. Each phase was characterized by the particular blend ratios used during the study. A blended source water represented a water that had been...
Show moreA study was conducted to investigate and quantify the effects of corrosion inhibitors on metal release within a pilot distribution system while varying the source water. The pilot distribution system consisted of pre-existing facilities from Taylor et al (2005). Iron, copper, and lead release data were collected during four separate phases of operation. Each phase was characterized by the particular blend ratios used during the study. A blended source water represented a water that had been derived from a consistent proportion of three different source waters. These source waters included (1) surface water treated through enhanced coagulation/sedimentation/filtration, (2) conventionally treated groundwater, and (3) finished surface water treated using reverse osmosis membranes. The corrosion inhibitors used during the study were blended orthophosphate (BOP), orthophosphate (OP), zinc orthophosphate (ZOP), and sodium silicate (Si). This document was intended to cite the findings from the study associated with corrosion treatment using various doses of sodium silicate. The doses were maintained to 3, 6, and 12 mg/L as SiO2 above the blend-dependent background silica concentration. Sources of iron release within the pilot distribution system consisted of, in the following order of entry, (1) lined cast iron, (2) un-lined cast iron, and (3) galvanized steel. Iron release data from these materials was not collected for each individual iron source. Instead, iron release data represented the measurement of iron upon exposure to the pilot distribution system in general. There was little evidence to suggest that iron release was affected by sodium silicate. Statistical modeling of iron release suggested that iron release could be described by the water quality parameters of alkalinity, chlorides, and pH. The R2 statistic implied that the model could account for only 36% of the total variation within the iron release data set (i.e. R2 = 0.36). The model implies that increases in alkalinity and pH would be expected to decrease iron release on average, while an increase in chlorides would increase iron release. The surface composition of cast iron and galvanized steel coupons were analyzed using X-ray photoelectron spectroscopy (XPS). The surface analysis located binding energies consistent with Fe2O3, Fe3O4, and FeOOH for both cast iron and galvanized steel. Elemental scans detected the presence of silicon as amorphous silica; however, there was no significant difference between scans of coupons treated with sodium silicate and coupons simply exposed to the blended source water. The predominant form of zinc found on the galvanized steel coupons was ZnO. Thermodynamic modeling of the galvanized steel system suggested that zinc release was more appropriately described by Zn5(CO3)2(OH)6. The analysis of the copper release data set suggested that treatment with sodium silicate decreased copper release during the study. On average the low, medium, and high doses decreased copper release, when compared to the original blend source water prior to sodium silicate addition, by approximately 20%, 30%, and 50%, respectively. Statistical modeling found that alkalinity, chlorides, pH, and sodium silicate dose were significant variables (R2 = 0.68). The coefficients of the model implied that increases in pH and sodium silicate dose decreased copper release, while increases in alkalinity and chlorides increased copper release. XPS for copper coupons suggested that the scale composition consisted of Cu2O, CuO, and Cu(OH)2 for both the coupons treated with sodium silicate and those exposed to the blended source water. Analysis of the silicon elemental scan detected amorphous silica on 3/5 copper coupons exposed to sodium silicate. Silicon was not detected on any of the 8 control coupons. This suggested that sodium silicate inhibitor varied the surface composition of the copper scale. The XPS results seemed to be validated by the visual differences of the copper coupons exposed to sodium silicate. Copper coupons treated with sodium silicate developed a blue-green scale, while control coupons were reddish-brown. Thermodynamic modeling was unsuccessful in identifying a controlling solid that consisted of a silicate-based cupric solid. Lead release was generally decreased when treated with sodium silicate. Many of the observations were recorded below the detection limit (1 ppb as Pb) of the instrument used to measure the lead concentration of the samples during the study. The frequency of observations below the detection limit tended to increase as the dose of sodium silicate increased. An accurate quantification of the effect of sodium silicate was complicated by the observations recorded below detection limit. If the lead concentration of a sample was below detection limit, then the observation was recorded as 1 ppb. Statistical modeling suggested that temperature, alkalinity, chlorides, pH, and sodium silicate dose were important variables associated with lead release (R2 = 0.60). The exponents of the non-linear model implied that an increase in temperature, alkalinity, and chlorides increased lead release, while an increase in pH and sodium silicate dose were associated with a decrease in lead release. XPS surface characterization of lead coupons indicated the presence of PbO, PbO2, PbCO3, and Pb3(OH)2(CO3)2. XPS also found evidence of silicate scale formation. Thermodynamic modeling did not support the possibility of a silicate-based lead controlling solid. A solubility model assuming Pb3(OH)2(CO3)2 as the controlling solid was used to evaluate lead release data from samples in which lead coupons were incubated for long stagnation times. This thermodynamic model seemed to similarly describe the lead release of samples treated with sodium silicate and samples exposed to the blended source water. The pH of each sample was similar, thus sodium silicate, rather than the corresponding increase in pH, would appear to be responsible if a difference had been observed. During the overall study, the effects of BOP, OP, ZOP, and Si corrosion inhibitors were described by empirical models. Statistically, the model represented the expected value, or mean average, function. If these models are to be used to predict a dose for copper release, then the relationship between the expected value function and the 90th percentile must be approximated. The USEPA Lead and Copper Rule (LCR) regulates total copper release at an action level of 1.3 mg/L. This action level represents a 90th percentile rather than a mean average. Evaluation of the complete copper release data set suggested that the standard deviation was proportional to the mean average of a particular treatment. This relationship was estimated using a linear model. It was found that most of the copper data sub-sets (represented by a given phase, inhibitor, and dose) could be described by a normal distribution. The information obtained from the standard deviation analysis and the normality assumption validated the use of a z-score to relate the empirical models to the estimated 90th percentile observations. Since an analysis of the normality and variance (essentially contains the same information as the standard deviation) are required to assess the assumptions associated with an ANOVA, an ANOVA was performed to directly compare the effects of the inhibitors and corresponding doses. The findings suggested that phosphate-based inhibitors were consistently more effective than sodium silicate when comparing the same treatment levels (i.e. doses). Among the phosphate-based inhibitors, the effectiveness of each respective treatment level was inconsistent (i.e. there was no clear indication that any one phosphate-based inhibitor was more effective than the other). As the doses increased for each inhibitor, the results generally suggested that there was a corresponding tendency for copper release to decrease.
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Date Issued: 2008
Identifier: CFE0002383, ucf:47737
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0002383

Title: SYSTEMATIC REVIEW AND META-ANALYSIS: TUBERCULOSIS, TNFΑ INHIBITORS, AND CROHN'S DISEASE.
Creator: Cao, Brent L, Naser, Saleh A., University of Central Florida
Abstract / Description: Inflammation is often a protective reaction against harmful foreign agents. However, in many disease conditions, the mechanisms behind the inflammatory response are poorly understood. Often times, the inflammation causes adverse effects, such as joint pain, abdominal pain, fever, fatigue, and loss of appetite. Thus, many treatments aim to inhibit the inflammatory response in order to control adverse symptoms. Such treatments include TNFα inhibitors. However, a major risk associated with drugs...
Show moreInflammation is often a protective reaction against harmful foreign agents. However, in many disease conditions, the mechanisms behind the inflammatory response are poorly understood. Often times, the inflammation causes adverse effects, such as joint pain, abdominal pain, fever, fatigue, and loss of appetite. Thus, many treatments aim to inhibit the inflammatory response in order to control adverse symptoms. Such treatments include TNFα inhibitors. However, a major risk associated with drugs inhibiting tumor necrosis factor alpha (TNFα) is serious infection, including tuberculosis (TB). Anti-TNFα therapy is used to treat patients with Crohn's disease, for which the risk of tuberculosis may be even more concerning. Recent literature suggests Crohn's might involve Mycobacterium avium subspecies paratuberculosis (MAP), an intracellular TB-like bacterium. This study seeks to investigate the risk of developing TB in patients with Crohn's disease treated with TNFα inhibitors. A meta-analysis synthesized existing evidence. Evidence came from published randomized, double-masked, placebo-controlled trials of TNFα inhibitors for treatment of adult Crohn's disease. Twenty-three trials were identified, including 5,669 patients. The risk of tuberculosis was significantly increased in anti-TNFα treated patients, with a risk difference of 0.028 (95% confidence interval [CI], 0.0011-0.055). The odds ratio was 4.85 (95% CI, 1.02-22.99) when all studies were included and 5.85 (95% CI, 1.13-30.38) when studies reporting zero tuberculosis cases were excluded. The risk of tuberculosis is increased in patients with Crohn's disease treated with TNFα inhibitors. The medical community should be alerted about this risk and the potential for TNFα inhibitor usage favoring granulomatous infections and worsening the patient condition.
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Date Issued: 2018
Identifier: CFH2000360, ucf:45909
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFH2000360

Title: THE RISKS AND BENEFITS OF SELECTIVE SEROTONIN REUPTAKE INHIBITORS AND THE EFFECT OF PARENT-CHILD COMPLIANCE ON MEDICATION TEACHING IN PEDIATRIC ANXIETY DISORDERS.
Creator: Nizam, Sabiha, Dever, Kimberly, University of Central Florida
Abstract / Description: Pediatric anxiety disorders characterized as Generalized, Separation, and Social Anxiety Disorders, are chronic debilitating conditions that leave children feeling tense and isolated, both physically and emotionally. Selective serotonin reuptake inhibitors (SSRIs) are a classification of antidepressants that can be prescribed to children diagnosed with these disorders. SSRIs have been shown to be effective in treating anxiety disorders in children. The purpose of this literature review was to...
Show morePediatric anxiety disorders characterized as Generalized, Separation, and Social Anxiety Disorders, are chronic debilitating conditions that leave children feeling tense and isolated, both physically and emotionally. Selective serotonin reuptake inhibitors (SSRIs) are a classification of antidepressants that can be prescribed to children diagnosed with these disorders. SSRIs have been shown to be effective in treating anxiety disorders in children. The purpose of this literature review was to examine and determine if there are more risks or benefits associated with SSRIs, as well as evaluate teaching and education regarding anxiety disorder medication compliance in both children and parents. A secondary purpose of this research was to provide recommendations in nursing practice to allow children to feel more involved in their medical regimen. The following databases were used for the search: CINAHL, Academic Search Premier, and Web of Science. Key terms used in the search include but are not limited to: child* and anxiety, not autism, and selective serotonin reuptake inhibitors, OR SSRI*, OR adolsecen*, not med*, pediatric*, OR side effects. The results suggest that the benefits of SSRI therapy in children with anxiety disorder, when taken on a regularly scheduled basis, outweigh the risks, however more research aimed at compliance with SSRI therapy in children and parents is necessary. Further research analyzing children with anxiety disorders is needed to assess SSRI usage based specifically on their developmental age, and the inclusion of appropriate teaching and explanation related to their diagnoses to identifying stressors that can include behavioral therapy as well.
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Date Issued: 2016
Identifier: CFH2000020, ucf:45574
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFH2000020

Title: IMPACT OF CORROSION INHIBITOR BLENDED ORTHOPHOSPHATE ON WATER QUALITY IN WATER DISTRIBUTION SYSTEMS.
Creator: Alshehri, Abdulrahman, Taylor, James, University of Central Florida
Abstract / Description: The impact of blended orthophosphate (BOP) inhibitor addition on the corrosion of iron, copper, and lead in drinking water distribution systems was studied under changing water quality environment. Release of iron, copper, and lead were monitored at varying inhibitor doses and changing blends of source waters (groundwater, surface water, and desalinated water). Solid corrosion products on pipe surfaces under BOP treatment were evaluated with surface characterization techniques. Performance of...
Show moreThe impact of blended orthophosphate (BOP) inhibitor addition on the corrosion of iron, copper, and lead in drinking water distribution systems was studied under changing water quality environment. Release of iron, copper, and lead were monitored at varying inhibitor doses and changing blends of source waters (groundwater, surface water, and desalinated water). Solid corrosion products on pipe surfaces under BOP treatment were evaluated with surface characterization techniques. Performance of the BOP inhibitor was compared to other corrosion control strategies. Iron scales for iron and galvanized steel coupons incubated in different blended waters in the presence of BOP inhibitor were analyzed by X-ray Photoelectron Spectroscopy (XPS) for surface composition. Identified iron corrosion products were ferric oxide (Fe2O3), magnetite (Fe3O4), and hydrated ferric oxide (FeOOH), in addition to ferric phosphate (FePO4) on coupons exposed to BOP inhibitor. Variations of water quality did not significantly affect the distribution of solid iron forms on surface films. Thermodynamic modeling indicated siderite (FeCO3) was the controlling solid phase of iron release. XPS indicated addition of BOP inhibitor produced a solid phosphate film in the iron scale which could inhibit iron release. Impact of BOP, orthophosphate, and pH adjustment on iron release in a distribution system was examined. Iron release was sensitive to water quality variations (alkalinity and chloride) associated with source and blends of finished water. Finished waters with high alkalinity content (between 149 and 164 mg/L as CaCO3) consistently mitigated iron release regardless of inhibitor use. Dissolved iron constituted about 10% of total iron release. Empirical models were developed that related water quality, inhibitor type and dose to iron release. The BOP inhibitor minimized total iron release followed closely by increasing pH (between 7.9 and 8.1), while orthophosphate dose did not affect iron release. Temperature (ranged from 21.2 to 25.3) had limited influence on iron release with BOP treatment. Monitoring copper release showed that dissolved copper was the dominant form in the effluent, at about 88%. BOP inhibitor doses of 0.5 to 2.0 mg/L proved beneficial in controlling copper concentrations to an average of below 0.5 mg/L. Control of copper release improved with increasing BOP dose, despite changes in alkalinity. Elevation of pH by 0.3 unit beyond pHs (between 7.9 and 8.1) resulted in noticeable decrease in copper concentrations of about 30%, but was more sensitive to higher alkalinity (146 to 151 mg/L as CaCO3) than BOP treatment. Developed empirical models confirmed the importance of BOP inhibitor dose, pH increase, and alkalinity content on copper release. Statistical comparison of the corrosion control strategies proved the advantage of BOP inhibitor, at all doses, over pH elevation in controlling copper release. The BOP inhibitor mitigated lead release below action level, and consistently outperformed pH elevation, in all water quality conditions. XPS analysis identified lead dioxide (PbO2), lead oxide (PbO), cerussite (PbCO3), and hydrocerussite (Pb3(CO3)2(OH)2) as the corrosion products in the scale of lead/tin coupons exposed to BOP inhibitor. XPS and Scanning Electron Microscopy (SEM) analysis suggested cerussite or hydrocerussite is the controlling solid phase of lead release. Thermodynamic models for cerussite and hydrocerussite grossly over predicted actual concentrations. Solubility and equilibrium relationships suggested the possibility of a lead orthophosphate solid that would describe the effectiveness of BOP inhibitor, although no lead-phosphate solid was detected by surface analysis. BOP inhibitor appeared to have mitigated lead release by forming a surface film between lead scale and the bulk water.
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Date Issued: 2008
Identifier: CFE0002229, ucf:47922
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0002229

Title: EFFECTS OF ORTHOPHOSPHATE CORROSION INHIBITOR IN BLENDED WATER QUALITY ENVIRONMENTS.
Creator: Stone, Erica, Duranceau, Steven, University of Central Florida
Abstract / Description: This study evaluated the effects of orthophosphate (OP) inhibitor addition on iron, copper, and lead corrosion on coupons exposed to different blends of groundwater, surface water, and desalinated seawater. The effectiveness of OP inhibitor addition on iron, copper, and lead release was analyzed by statistical comparison between OP treated and untreated pilot distribution systems (PDS). Four different doses of OP inhibitor, ranging from zero (control) to 2 mg/L as P, were investigated and non...
Show moreThis study evaluated the effects of orthophosphate (OP) inhibitor addition on iron, copper, and lead corrosion on coupons exposed to different blends of groundwater, surface water, and desalinated seawater. The effectiveness of OP inhibitor addition on iron, copper, and lead release was analyzed by statistical comparison between OP treated and untreated pilot distribution systems (PDS). Four different doses of OP inhibitor, ranging from zero (control) to 2 mg/L as P, were investigated and non-linear empirical models were developed to predict iron, copper, and lead release from the water quality and OP doses. Surface characterization evaluations were conducted using X-ray Photoelectron Spectroscopy (XPS) analyses for each iron, galvanized steel, copper, and lead/tin coupon tested. Also, a theoretical thermodynamic model was developed and used to validate the controlling solid phases determined by XPS. A comparison of the effects of phosphate-based corrosion inhibitor addition on iron, copper, and lead release from the PDSs exposed to the different blends was also conducted. Three phosphate-based corrosion inhibitors were employed; blended orthophosphate (BOP), orthophosphate (OP), and zinc orthophosphate (ZOP). Non-linear empirical models were developed to predict iron, copper, and lead release from each PDS treated with different doses of inhibitor ranging from zero (control) to 2 mg/L as P. The predictive models were developed using water quality parameters as well as the inhibitor dose. Using these empirical models, simulation of the water quality of different blends with varying alkalinity and pH were used to compare the inhibitors performance for remaining in compliance for iron, copper and lead release. OP inhibitor addition was found to offer limited improvement of iron release for the OP dosages evaluated for the water blends evaluated compared to pH adjustment alone. Empirical models showed increased total phosphorus, pH, and alkalinity reduced iron release while increased silica, chloride, sulfate, and temperature contributed to iron release. Thermodynamic modeling suggested that FePO4 is the controlling solid that forms on iron and galvanized steel surfaces, regardless of blend, when OP inhibitor is added for corrosion control. While FePO4 does not offer much control of the iron release from the cast iron surfaces, it does offer protection of the galvanized steel surfaces reducing zinc release. OP inhibitor addition was found to reduce copper release for the OP dosages evaluated for the water blends evaluated compared to pH adjustment alone. Empirical models showed increases in total phosphorus, silica, and pH reduced copper release while increased alkalinity and chloride contributed to copper release. Thermodynamic modeling suggested that Cu3(PO4)2•2H2O is the controlling solid that forms on copper surfaces, regardless of blend, when OP inhibitor is added for corrosion control. OP inhibitor addition was found to reduce lead release for the OP dosages evaluated for the water blends evaluated compared to pH adjustment alone. Empirical models showed increased total phosphorus and pH reduced lead release while increased alkalinity, chloride, and temperature contributed to lead release. Thermodynamic modeling suggested that hydroxypyromorphite is the controlling solid that forms on lead surfaces, regardless of blend, when OP inhibitor is added for corrosion control. The comparison of phosphate-based inhibitors found increasing pH to reduce iron, copper, and lead metal release, while increasing alkalinity was shown to reduce iron release but increase copper and lead release. The ZOP inhibitor was not predicted by the empirical models to perform as well as BOP and OP at the low dose of 0.5 mg/L as P for iron control, and the OP inhibitor was not predicted to perform as well as BOP and ZOP at the low dose of 0.5 mg/L as P for lead control. The three inhibitors evaluated performed similarly for copper control. Therefore, BOP inhibitor showed the lowest metal release at the low dose of 0.5 mg/L as P for control of iron, copper, and lead corrosion.
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Date Issued: 2008
Identifier: CFE0002382, ucf:47760
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0002382

Title: DISCOVERY AND OPTIMIZATION OF NOVEL SMALL-MOLECULAR INHIBITORS SUPPRESSING STAT3-DEPENDENT TUMOR PROCESS.
Creator: Zhang, Xiaolei, Turkson, James, University of Central Florida
Abstract / Description: With the critical role of aberrantly active Signal Transducer and Activator of Transcription (Stat) 3 protein in many human cancers, selective small-molecule inhibitors targeting the dimerization event which is required for stat3 activation, would be valuable as therapeutic agents. And the inhibitors will be useful chemical probes to clarify the complex biological functions of Stat3. By computational and structural analyses of the interaction between Stat3 and the lead dimerization disruptor,...
Show moreWith the critical role of aberrantly active Signal Transducer and Activator of Transcription (Stat) 3 protein in many human cancers, selective small-molecule inhibitors targeting the dimerization event which is required for stat3 activation, would be valuable as therapeutic agents. And the inhibitors will be useful chemical probes to clarify the complex biological functions of Stat3. By computational and structural analyses of the interaction between Stat3 and the lead dimerization disruptor, S3I-201, we have designed a diverse set of analogs. One of the most active analogs, S3I-201.1066 is derived to contain a cyclo-hexyl benzyl moiety on the amide nitrogen, which increases the binding to the Stat3 SH2 domain. Evidence is presented from in vitro biochemical and biophysical studies that S3I-201.1066 directly interacts with Stat3 or the SH2 domain, with an affinity (KD) of 2.74 [micro]M, and disrupts the binding of Stat3 to the cognate pTyr-peptide, GpYLPQTV-NH2, with an IC50 of 23 [micro]M. Moreover, S3I-201.1066 selectively blocks the association of Stat3 with the epidermal growth factor receptor (EGFR), and inhibits Stat3 tyrosine phosphorylation and nuclear translocation in EGF-stimulated mouse fibroblasts. In cancer cells that harbor aberrant Stat3 activity, S3I-201.1066 inhibits constitutive Stat3 DNA-binding and transcriptional activities. By contrast, S3I-201.1066 has no effect on Src activation or the EGFR-mediated activation of the Erk1/2MAPK pathway. S3I-201.1066 selectively suppresses the viability, survival, and malignant transformation of the human breast and pancreatic cancer lines and the v-Src-transformed mouse fibroblasts harboring persistently active Stat3. Treatment with S3I-201.1066 on malignant cells harboring aberrantly active Stat3 down regulated the expression of c-Myc, Bcl-xL, Survivin, matrix metalloproteinase 9, and VEGF, which are known Stat3-regulated genes important in diverse tumor processes. The in vivo administration of S3I-201.1066 induced significant anti-tumor response in mouse models of human breast cancer, which correlates with the inhibition of constitutively active Stat3 and the suppression of known Stat3-regulated genes. Further computer-aided lead optimization derives higher-affinity (KD, 504 nM), orally bioavailable Stat3 SH2 domain-binding ligand, BP-1-102 as a structural analog of S3I-201.1066. The most significant modification is the pentafluorobenzene sulfonamide component of BP-1-102, which permits accessibility of a third sub-pocket of the Stat3 SH2 domain surface. BP-1-102-mediated inhibition of aberrantly-active Stat3 in human pancreatic cancer, Panc-1, breast cancer, MDA-MB-231, and prostate (DU145) cancer cells and in the mouse transformed fibroblasts harboring aberrantly-active Stat3. It also disrupts Stat3-NFkB cross-talk and suppresses the release of granulocyte colony-stimulating factor, soluble intercellular adhesion molecule-1, macrophage-migration-inhibitory factor/glycosylation-inhibiting factor, interleukin-1 receptor antagonist and the serine protease inhibitor (serpin) protein 1, and the expression of c-Myc, Cyclin D1, Bcl-xL, Survivin, and vascular endothelial growth factor expression in vitro and in vivo. Inhibition of tumor cell-associated constitutively-active Stat3 further suppresses focal adhesion kinase and paxillin induction, enhances E-cadherin expression, and down-regulates Kruppel-like factor 8 (KLF8)expression. Consequently, BP-1-102 selectively suppresses anchorage-dependent and independent growth, survival, migration and invasion of Stat3-dependent tumor cells in vitro. Intravenous or oral gavage delivery of BP-1-102 furnishes micromolar or microgram levels in tumor tissues and inhibits growth of mouse xenografts of human breast and lung tumors. Computer-aided lead optimization has therefore derived a more suitable small-molecule inhibitor as a drug candidate. Our studies of the Stat3 SH2 protein surface and of the interactions between lead agents and the SH2 domain provided significant data to facilitate the structural optimization. From S2I-201 to S3I-201.1066 and to BP-1-102, we note the substantial gain in potency and efficacy, and the pharmacokinetic improvements. The oral bioavailability of BP-1-102 represents a substantial advancement in the discovery of small-molecule Stat3 inhibitors as novel anticancer agents.
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Date Issued: 2011
Identifier: CFE0003976, ucf:48669
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0003976

Title: STEM CELL BIOLOGY AND STRATEGIES FOR THERAPEUTIC DEVELOPMENT IN DEGENERATIVE DISEASES AND CANCER.
Creator: Alvarez, Angel, Sugaya, Kiminobu, University of Central Florida
Abstract / Description: Stem cell biology is an exciting field that will lead to significant advancements in science and medicine. We hypothesize that inducing the expression of stem cell genes, using the embryonic stem cell gene nanog, will reprogram cells and dedifferentiate human mesenchymal stem cells into pluripotent stem cells capable of neural differentiation. The aims of initial studies are as follows: Aim 1: Demonstrate that forced expression of the embryonic stem cell gene nanog induces changes in human...
Show moreStem cell biology is an exciting field that will lead to significant advancements in science and medicine. We hypothesize that inducing the expression of stem cell genes, using the embryonic stem cell gene nanog, will reprogram cells and dedifferentiate human mesenchymal stem cells into pluripotent stem cells capable of neural differentiation. The aims of initial studies are as follows: Aim 1: Demonstrate that forced expression of the embryonic stem cell gene nanog induces changes in human mesenchymal stem cells to an embryonic stem cell-like phenotype. Aim 2: Demonstrate that induced expression of nanog up-regulates the expression of multiple embryonic stem cell markers and expands the differentiation potential of the stem cells. Aim 3: Demonstrate that these nanog-expressing stem cells have the ability to differentiate along neural lineages in vitro and in vivo, while mock-transfected cells have an extremely limited capacity for transdifferentiation. Alternatively, we hypothesize that embryonic stem cell genes can become activated in malignant gliomas and differentially regulate the subpopulation of cancer stem cells. This study examines the role of embryonic stem cell genes in transformed cells, particularly cancer stem cells. These studies explore has the following objectives: Aim 1: Isolate different sub-populations of cells from tumors and characterize cells with stem cell-like properties. Aim 2: Characterize the expression of embryonic stem cell markers in the sub-population of cancer stem cells. Aim 3: Examine the effects of histone deacetylase inhibitors at inhibiting the growth and reducing the expression of stem cell markers. Our research has demonstrated the potential of the embryonic transcription factor, nanog, at inducing dedifferentiation of human bone marrow mesenchymal stem cells and allowing their recommitment to a neural lineage. Specifically, we used viral and non-viral vectors to induce expression of NANOG, which produced an embryonic stem cell-like morphology in transduced cells. We characterized these cells using real-time PCR and immunohistochemical staining and find an up-regulation of genes responsible for pluripotency and self-renewal. Embryonic stem cell markers including Sox2, Oct4 and TERT were up-regulated following delivery of nanog. The role of nanog in the expression of these markers was further demonstrated in our induced-differentiation method where we transfected embryonic stem cell-like cells, that have been transduced with nanog flanked by two loxP sites, with a vector containing Cre-recominase. We tested the ability of these nanog-transfected cells to undergo neural differentiation in vitro using a neural co-culture system or in vivo following intracranial transplantation. Our next study characterized patient-derived glioblastoma cancer stem cells. We found that cells isolated from serum-free stem cell cultures were enriched for stem cell markers and were more proliferative than the bulk population of cells grown in convention serum-supplemented media. These cancer stem cells expressed embryonic stem cell markers NANOG and OCT4 whereas non-tumor-derived neural stem cells do not. Moreover, the expression of stem cell markers was correlated with enhanced proliferation and could serve as a measure of drug effectiveness. We tested two different histone deacetylase inhibitors, trichostatin A and valproic acid, and found that both inhibited proliferation and significantly reduced expression of stem cell markers in our cancer stem cell lines. These data demonstrate the potential use of stem cell genes as therapeutic markers and supports the hypothesis that cancer stem cells are a major contributor to brain tumor malignancy.
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Date Issued: 2011
Identifier: CFE0003641, ucf:48845
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0003641

Title: Evaluating Corrosion Control Alternatives for a Reverse Osmosis, Nanofiltration and Anion-Exchange Blended Water Supply.
Creator: Wilder, Rebecca, Duranceau, Steven, Randall, Andrew, Zhang, Husen, University of Central Florida
Abstract / Description: The research reported herein describes the study activities performed by University of Central Florida (UCF) on behalf of the Town of Jupiter Water Utilities (Town). The Town recently changed its water treatment operations from a combination of reverse osmosis (RO), lime softening (LS) and anion-exchange (IX) to a combination of RO, IX and nanofiltration (NF). Although this treatment change provided enhanced water to the surrounding community in terms of better contaminant removal and reduced...
Show moreThe research reported herein describes the study activities performed by University of Central Florida (UCF) on behalf of the Town of Jupiter Water Utilities (Town). The Town recently changed its water treatment operations from a combination of reverse osmosis (RO), lime softening (LS) and anion-exchange (IX) to a combination of RO, IX and nanofiltration (NF). Although this treatment change provided enhanced water to the surrounding community in terms of better contaminant removal and reduced DBP formation potential, integration of the NF process altered finished water quality parameters including pH, alkalinity and hardness. There was concern that these changes could result in secondary impacts related to accelerated corrosion of distribution system components and subsequent regulatory compliance. In addition, replacement of the LS process altered the in-plant blending operations by creating an unstable intermediate blend composed of RO and IX waters. There were concerns that this intermediate blend was affecting the integrity of in-plant hydraulic conveyance components.UCF developed a corrosion monitoring study to assess the potential impacts related to internal corrosion, water quality and regulatory compliance after integrating NF into the existing water supply. The intended purpose was to further highlight the complexities of corrosion, describe a unique approach to corrosion monitoring as well as offer various recommendations for corrosion control in a system that relies on a blended water supply. Research was conducted in three phases to address the in-plant and distribution system corrosion issues separately and identify appropriate corrosion control treatment alternatives. The three test phases included: a baseline conditions assessment to compare corrosion of the intermediate RO-IX blend with the finished water blend (RO-IX-NF); an in-plant corrosion control evaluation; and a distribution system corrosion control evaluation.A test apparatus was constructed and operated at the Town's facilities to monitor corrosion activity of mild steel, copper and lead solder metal components. The test apparatus consisted of looped PVC pipe segments housed with electrochemical probes and metal coupons to monitor corrosion rates of the metallic components. Electrochemical probes containing metal electrodes were used to obtain instantaneous corrosion rates by means of the Linear Polarization Resistance (LPR) technique while the metal coupons were gravimetrically evaluated for weight loss. The electrochemical probes permitted daily monitoring of each metal's corrosion rates while metal coupons were analyzed at the conclusion of testing and used for comparison. Different test waters flowed through the corrosion rack according to each test phase and relative corrosion rates were compared to evaluate corrosion control techniques.Study findings indicated that the intermediate blend was more corrosive, in general, then the final blend; however, research also indicated that the final blend of water was increasing lead and copper concentrations within the distribution system. An orthophosphate corrosion inhibitor was evaluated for in-plant corrosion control. The inhibitor's performance was assessed by comparing mild steel corrosion rates with and without the chemical. In addition, secondary impacts related to introduction of the chemical were evaluated by pre-corroding the metallic components prior to the introduction of the inhibitor. Results indicated that the inhibitor marginally decreased corrosion rates and increased the turbidity of the water supply. Based on these observations, it was concluded that the inhibitor was not a viable solution for in-plant corrosion control. To resolve in-plant corrosion issues, recommendations were made for modification of in-plant blending operations to eliminate the corrosive intermediate blend from the process allowing the RO, IX and NF treated waters to be blended in a common location. The effectiveness of a poly/ortho blended phosphate chemical inhibitor was evaluated for reducing lead and copper corrosion to resolve distribution corrosion issues. A 50/50 poly/ortho blend was selected because of its analogous use in similar municipal water facilities. Metallic corrosion rates, particularly lead and copper, were compared with and without the inhibitor to assess the performance of the chemical. Like the previous test phase, the metallic components were pre-corroded prior to the chemical's introduction to determine if secondary impacts could result from its presence. Results indicated that lead and copper corrosion rates were lower in the presence of the inhibitor, and secondary impacts related to increased turbidity were not observed for this chemical. Based on these results, it was recommended that a poly/ortho blended phosphate be used to decrease lead and copper corrosion within the Town's distribution system.
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Date Issued: 2012
Identifier: CFE0004460, ucf:49349
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004460

Title: Control of Metal-Release and Tuberculation in a Silica-Laden Groundwater Distribution System on the Volcanic Island of Lana'i.
Creator: Myers, Samantha, Duranceau, Steven, Sadmani, A H M Anwar, Lee, Woo Hyoung, University of Central Florida
Abstract / Description: A corrosion control study for two distinct water distribution systems (WDS) has been completed for the Pulama Lana'i Water Company (Pulama). This project evaluated the use of chemical inhibitors to control corrosion and tuberculation within the Manele Bay WDS and the Lana'i City WDS. Pulama provides water to a population of 3,100 residents and is considering incorporating alternative water supplies in the future. Hence, knowing baseline corrosion rates within the WDS was desired.Several...
Show moreA corrosion control study for two distinct water distribution systems (WDS) has been completed for the Pulama Lana'i Water Company (Pulama). This project evaluated the use of chemical inhibitors to control corrosion and tuberculation within the Manele Bay WDS and the Lana'i City WDS. Pulama provides water to a population of 3,100 residents and is considering incorporating alternative water supplies in the future. Hence, knowing baseline corrosion rates within the WDS was desired.Several groundwater wells feed each of the WDS's; however, water quality between wells varies. Well water supplied to the WDS's is generally of high quality, therefore, the historical treatment method has been limited to disinfection prior to distribution. The distribution system consists of several materials of construction, which includes galvanized iron. Valves and pipes within the WDS were experiencing visible corrosion and tuberculation believed to be responsible for variable pressure drop throughout portions of the system.In this work, two corrosion racks, each consisting of two parallel loops, were designed, constructed, and installed at each site. One loop was maintained as a control while the other loop was used for testing alternative corrosion inhibitors. The racks utilized metal sample coupons and linear polarization resistance probes to provide data on corrosion rates of selected metals of interest.Results indicated that the water in Manele Bay experienced no noticeable change between the test loop and control loop when a corrosion inhibitor was added. A first experiment found the corrosion rates reached baseline steady(-)state at 4,000 operational hours. A second experiment found that the corrosion rates reached baseline steady(-)state at 2,200 operational hours. During these two experiments, the addition of a phosphate or silica(-)based inhibitor neither reduced nor increased the corrosion rates of mild steel, lead, and copper.Results from Lana'i City indicated that inhibitors offered little to no positive effect between the control condition and the test condition. During the first experiment, baseline corrosion was reached after 2,400 hours. The addition of a phosphate inhibitor did not reduce nor increase the corrosion rates of mild steel and lead. However, the corrosion rate of copper increased to 1.0mpy from 0.22mpy. The corrosion rate remained elevated after inhibitor feed was terminated. The second experiment reached baseline corrosion rates at 1,400 operational hours. The use of silica inhibitor neither reduced nor increased the corrosion rate of mil steel, lead, and copper.Since corrosion inhibitors were found to be ineffective, a valve exercise and replacement program for Pulama's assets was recommended. This program included: (1) developing a detailed asset inventory, (2) implementing operation and maintenance tasks, (3) forming a valve replacement plan, and (4) establishing long range financial planning. An opinion of probable replacement cost for 200 new valves was conceptually estimated to approximate 3.3 million dollars expended over a 20 year time frame.
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Date Issued: 2016
Identifier: CFE0006152, ucf:51152
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0006152

Title: Self-assembly of Amyloid Aggregates Simulated with Molecular Dynamics.
Creator: Berhanu, Workalemahu, Masunov, Artem, Kolpashchikov, Dmitry, Ye, Jingdong, Zou, Shengli, Schulte, Alfons, University of Central Florida
Abstract / Description: ABSTRACTAmyloids are highly ordered cross-? sheet aggregates that are associated with many diseases such as Alzheimer's, type II diabetes and prion diseases. Recently a progress has been made in structure elucidation, environmental effects and thermodynamic properties of amyloid aggregates. However, detailed understanding of how mutation, packing polymorphism and small organic molecules influence amyloid structure and dynamics is still lacking. Atomistic modeling of these phenomena with...
Show moreABSTRACTAmyloids are highly ordered cross-? sheet aggregates that are associated with many diseases such as Alzheimer's, type II diabetes and prion diseases. Recently a progress has been made in structure elucidation, environmental effects and thermodynamic properties of amyloid aggregates. However, detailed understanding of how mutation, packing polymorphism and small organic molecules influence amyloid structure and dynamics is still lacking. Atomistic modeling of these phenomena with molecular dynamics (MD) simulations holds a great promise to bridge this gap. This Thesis describes the results of MD simulations, which provide insight into the effects of mutation, packing polymorphism and molecular inhibitors on amyloid peptides aggregation. Chapter 1 discusses the structure of amyloid peptides, diseases associated with amyloid aggregation, mechanism of aggregation and strategies to treat amyloid diseases. Chapter 2 describes the basic principles of molecular dynamic simulation and methods of trajectory analysis used in the Thesis. Chapter 3 presents the results of the study of several all-atom molecular dynamics simulations with explicit solvent, starting from the crystalline fragments of two to ten monomers each. Three different hexapeptides and their analogs produced with single glycine replacement were investigated to study the structural stability, aggregation behavior and thermodynamics of the amyloid oligomers. Chapter 4 presents multiple molecular dynamics (MD) simulation of a pair polymorphic form of five short segments of amyloid peptide. Chapter 5 describes MD study of single-layer oligomers of the full-length insulin with a goal to identify the structural elements that are important for insulin amyloid stability, and to suggest single glycine mutants that may improve formulation. Chapter 6 presents the investigation of the mechanism of the interaction of polyphenols molecules with the protofibrils formed by an amyloidogenic hexapeptide fragment (VQIVYK) of Tau peptide by molecular dynamics simulations in explicit solvent. We analyzed the trajectories of the large (7(&)#215;4) aggregate with and without the polyphenols.Our MD simulations for both the short and full length amyloids revealed adding strands enhances the internal stability of wildtype aggregates. The degree of structural similarity between the oligomers in simulation and the fibril models constructed based on experimental data may explain why adding oligomers shortens the experimentally observed nucleation lag phase of amyloid aggregation. The MM-PBSA free energy calculation revealed nonpolar components of the free energy is more favorable while electrostatic solvation is unfavorable for the sheet to sheet interaction. This explains the acceleration of aggregation by adding nonpolar co-solvents (methanol, tri?uoroethanol, and hexa?uoroisopropanol). Free energy decomposition shows residues situated at the interface were found to make favorable contribution to the peptide -peptide association.The results from the simulations might provide both the valuable insight for amyloid aggregation as well as assist in inhibitor design efforts. First, the simulation of the single glycine mutants at the steric zipper of the short segments of various pathological peptides indicates the intersheet steric zipper is important for amyloid stability. Mutation of the side chains at the dry steric zipper disrupts the sheet to sheet packing, making the aggregation unstable. Thus, designing new peptidomimetic inhibitors able to prevent the fibril formation based on the steric zipper motif of the oligomers, similar to the ones examined in this study may become a viable therapeutic strategy. The various steric zipper microcrystal structures of short amyloid segments could be used as a template to design aggregation inhibitor that can block growth of the aggregates. Modification of the steric zipper structure (structure based design) with a single amino acid changes, shuffling the sequences, N- methylation of peptide amide bonds to suppress hydrogen bonding ability of NH groups or replacement with D amino acid sequence that interact with the parent steric zipper could be used in computational search for the new inhibitors. Second, the polyphenols were found to interact with performed oligomer through hydrogen bonding and induce conformational change creating an altered aggregate. The conformational change disrupts the intermolecular amyloid contact remodeling the amyloid aggregate. The recently reported microcrystal structure of short segments of amyloid peptides with small organic molecules could serve as a pharamcophore for virtual screening of aggregation inhibitor using combined docking and MD simulation with possible enhancement of lead enrichment. Finally, our MD simulation of short segments of amyloids with steric zipper polymorphism showed the stability depends on both sequence and packing arrangements. The hydrophilic polar GNNQQNY and NNQNTF with interface containing large polar and/or aromatic side chains (Q/N) are more stable than steric zipper interfaces made of small or hydrophobic residues (SSTNVG, VQIVYK, and MVGGVV). The larger sheet to sheet interface of the dry steric zipper through polar Q/N rich side chains was found to holds the sheets together better than non Q/N rich short amyloid segments. The packing polymorphism could influence the structure based design of aggregation inhibitor and a combination of different aggregation inhibitors might be required to bind to various morphologic forms of the amyloid peptides.
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Date Issued: 2011
Identifier: CFE0004088, ucf:49131
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0004088

Title: In-Plant and Distribution System Corrosion Control for Reverse Osmosis, Nanofiltration, and Anion Exchange Process Blends.
Creator: Jeffery, Samantha, Duranceau, Steven, Randall, Andrew, Wang, Dingbao, University of Central Florida
Abstract / Description: The integration of advanced technologies into existing water treatment facilities (WTFs) can improve and enhance water quality; however, these same modifications or improvements may adversely affect finished water provided to the consumer by public water systems (PWSs) that embrace these advanced technologies. Process modification or improvements may unintentionally impact compliance with the provisions of the United States Environmental Protection Agency's (USEPA's) Safe Drinking Water Act ...
Show moreThe integration of advanced technologies into existing water treatment facilities (WTFs) can improve and enhance water quality; however, these same modifications or improvements may adversely affect finished water provided to the consumer by public water systems (PWSs) that embrace these advanced technologies. Process modification or improvements may unintentionally impact compliance with the provisions of the United States Environmental Protection Agency's (USEPA's) Safe Drinking Water Act (SDWA). This is especially true with respect to corrosion control, since minor changes in water quality can affect metal release. Changes in metal release can have a direct impact on a water purveyor's compliance with the SDWA's Lead and Copper Rule (LCR). In 2010, the Town of Jupiter (Town) decommissioned its ageing lime softening (LS) plant and integrated a nanofiltration (NF) plant into their WTF. The removal of the LS process subsequently decreased the pH in the existing reverse osmosis (RO) clearwell, leaving only RO permeate and anion exchange (AX) effluent to blend. The Town believed that the RO-AX blend was corrosive in nature and that blending with NF permeate would alleviate their concern. Consequently, a portion of the NF permeate stream was to be split between the existing RO-AX clearwell and a newly constructed NF primary clearwell. The Town requested that the University of Central Florida (UCF) conduct research evaluating how to mitigate negative impacts that may result from changing water quality, should the Town place its AX into ready-reserve. The research presented in this document was focused on the evaluation of corrosion control alternatives for the Town, and was segmented into two major components: 1.The first component of the research studied internal corrosion within the existing RO clearwell and appurtenances of the Town's WTF, should the Town place the AX process on standby. Research related to WTF in-plant corrosion control focused on blending NF and RO permeate, forming a new intermediate blend, and pH-adjusting the resulting mixture to reduce corrosion in the RO clearwell. 2.The second component was implemented with respect to the Town's potable water distribution system. The distribution system corrosion control research evaluated various phosphate-based corrosion inhibitors to determine their effectiveness in reducing mild steel, lead and copper release in order to maintain the Town's continual compliance with the LCR.The primary objective of the in-plant corrosion control research was to determine the appropriate ratio of RO to NF permeate and the pH necessary to reduce corrosion in the RO clearwell. In this research, the Langelier saturation index (LSI) was the corrosion index used to evaluate the stability of RO:NF blends. Results indicated that a pH-adjusted blend consisting of 70% RO and 30% NF permeate at 8.8-8.9 pH units would produce an LSI of +0.1, theoretically protecting the RO clearwell from corrosion.The primary objective of the distribution system corrosion control component of the research was to identify a corrosion control inhibitor that would further reduce lead and copper metal release observed in the Town's distribution system to below their respective action limits (ALs) as defined in the LCR. Six alternative inhibitors composed of various orthophosphate and polyphosphate (ortho:poly) ratios were evaluated sequentially using a corrosion control test apparatus. The apparatus was designed to house mild steel, lead and copper coupons used for weight loss analysis, as well as mild steel, lead solder and copper electrodes used for linear polarization analysis. One side of the apparatus, referred to as the (")control condition,(") was fed potable water that did not contain the corrosion inhibitor, while the other side of the corrosion apparatus, termed the (")test condition,(") was fed potable water that had been dosed with a corrosion inhibitor. Corrosion rate measurements were taken twice per weekday, and water quality was measured twice per week. Inhibitor evaluations were conducted over a span of 55 to 56 days, varying with each inhibitor. Coupons and electrodes were pre-corroded to simulate existing distribution system conditions. Water flow to the apparatus was controlled with an on/off timer to represent variations in the system and homes. Inhibitor comparisons were made based on their effectiveness at reducing lead and copper release after chemical addition. Based on the results obtained from the assessment of corrosion inhibitors for distribution system corrosion control, it appears that Inhibitors 1 and 3 were more successful in reducing lead corrosion rates, and each of these inhibitors reduced copper corrosion rates. Also, it is recommended that consideration be given to use of a redundant single-loop duplicate test apparatus in lieu of a double rack corrosion control test apparatus in experiments where pre-corrosion phases are implemented. This recommendation is offered because statistically, the control versus test double loop may not provide relevance in data analysis. The use of the Wilcoxon signed ranks test comparing the initial pre-corroding phase to the inhibitor effectiveness phase has proven to be a more useful analytical method for corrosion studies.
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Date Issued: 2013
Identifier: CFE0005008, ucf:50001
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0005008

Title: CHARACTERIZATION OF NOVEL ANTIMALARIALS FROM COMPOUNDS INSPIRED BY NATURAL PRODUCTS USING PRINCIPAL COMPONENT ANALYSIS (PCA).
Creator: Balde, Zarina Marie G, Chakrabarti, Debopam, University of Central Florida
Abstract / Description: Malaria is caused by a protozoan parasite, Plasmodium falciparum, which is responsible for over 500,000 deaths per year worldwide. Although malaria medicines are working well in many parts of the world, antimalarial drug resistance has emerged as one of the greatest challenges facing malaria control today. Since the malaria parasites are once again developing widespread resistance to antimalarial drugs, this can cause the spread of malaria to new areas and the re-emergence of malaria in areas...
Show moreMalaria is caused by a protozoan parasite, Plasmodium falciparum, which is responsible for over 500,000 deaths per year worldwide. Although malaria medicines are working well in many parts of the world, antimalarial drug resistance has emerged as one of the greatest challenges facing malaria control today. Since the malaria parasites are once again developing widespread resistance to antimalarial drugs, this can cause the spread of malaria to new areas and the re-emergence of malaria in areas where it had already been eradicated. Therefore, the discovery and characterization of novel antimalarials is extremely urgent. A previous drug screen in Dr. Chakrabarti's lab identified several natural products (NPs) with antiplasmodial activities. The focus of this study is to characterize the hit compounds using Principal Component Analysis (PCA) to determine structural uniqueness compared to known antimalarial drugs. This study will compare multiple libraries of different compounds, such as known drugs, kinase inhibitors, macrocycles, and top antimalarial hits discovered in our lab. Prioritizing the hit compounds by their chemical uniqueness will lessen the probability of future drug resistance. This is an important step in drug discovery as this will allow us to increase the interpretability of the datasets by creating new uncorrelated variables that will successively maximize variance. Characterization of the Natural Product inspired compounds will enable us to discover potent, selective, and novel antiplasmodial scaffolds that are unique in the 3-dimensional chemical space and will provide critical information that will serve as advanced starting points for the antimalarial drug discovery pipeline.
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Date Issued: 2018
Identifier: CFH2000405, ucf:45893
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFH2000405

Title: THE EFFECTS OF PHOSPHATE AND SILICATE INHIBITORS ON SURFACE ROUGHNESS AND COPPER RELEASE IN WATER DISTRIBUTION SYSTEMS.
Creator: MacNevin, David, Taylor, James, University of Central Florida
Abstract / Description: The effects of corrosion inhibitors on water quality and the distribution system were studied. This dissertation investigates the effect of inhibitors on iron surface roughness, copper surface roughness, and copper release. Corrosion inhibitors included blended poly/ortho phosphate, sodium orthophosphate, zinc orthophosphate, and sodium silicate. These inhibitors were added to a blend of surface water, groundwater, and desalinated brackish water. Surface roughness of galvanized iron, unlined...
Show moreThe effects of corrosion inhibitors on water quality and the distribution system were studied. This dissertation investigates the effect of inhibitors on iron surface roughness, copper surface roughness, and copper release. Corrosion inhibitors included blended poly/ortho phosphate, sodium orthophosphate, zinc orthophosphate, and sodium silicate. These inhibitors were added to a blend of surface water, groundwater, and desalinated brackish water. Surface roughness of galvanized iron, unlined cast iron, lined cast iron, and polyvinyl chloride was measured using pipe coupons exposed for three months. Roughness of each pipe coupon was measured with an optical surface profiler before and after exposure to inhibitors. For most materials, inhibitor did not have a significant effect on surface roughness; instead, the most significant factor determining the final surface roughness was the initial surface roughness. Coupons with low initial surface roughness tended to have an increase in surface roughness during exposure, and vice versa, implying that surface roughness tended to regress towards an average or equilibrium value. For unlined cast iron, increased alkalinity and increased temperature tended to correspond with increases in surface roughness. Unlined cast iron coupons receiving phosphate inhibitors were more likely to have a significant change in surface roughness, suggesting that phosphate inhibitors affect stability of iron pipe scales. Similar roughness data collected with new copper coupons showed that elevated orthophosphate, alkalinity, and temperature were all factors associated with increased copper surface roughness. The greatest increases in surface roughness were observed with copper coupons receiving phosphate inhibitors. Smaller increases were observed with copper coupons receiving silicate inhibitor or no inhibitor. With phosphate inhibitors, elevated temperature and alkalinity were associated with larger increases in surface roughness and blue-green copper (II) scales.. Otherwise a compact, dull red copper (I) scale was observed. These data suggest that phosphate inhibitor addition corresponds with changes in surface morphology, and surface composition, including the oxidation state of copper solids. The effects of corrosion inhibitors on copper surface chemistry and cuprosolvency were investigated. Most copper scales had X-ray photoelectron spectroscopy binding energies consistent with a mixture of Cu2O, CuO, Cu(OH)2, and other copper (II) salts. Orthophosphate and silica were detected on copper surfaces exposed to each inhibitor. All phosphate and silicate inhibitors reduced copper release relative to the no inhibitor treatments, keeping total copper below the 1.3 mg/L MCLG for all water quality blends. All three kinds of phosphate inhibitors, when added at 1 mg/L as P, corresponded with a 60% reduction in copper release relative to the no inhibitor control. On average, this percent reduction was consistent across varying water quality conditions in all four phases. Similarly when silicate inhibitor was added at 6 mg/L as SiO2, this corresponded with a 25-40% reduction in copper release relative to the no inhibitor control. Hence, on average, for the given inhibitors and doses, phosphate inhibitors provided more predictable control of copper release across changing water quality conditions. A plot of cupric ion concentration versus orthophosphate concentration showed a decrease in copper release consistent with mechanistic control by either cupric phosphate solubility or a diffusion limiting phosphate film. Thermodynamic models were developed to identify feasible controlling solids. For the no inhibitor treatment, Cu(OH)2 provided the closest prediction of copper release. With phosphate inhibitors both Cu(OH)2 and Cu(PO4)·2H2O models provided plausible predictions. Similarly, with silicate inhibitor, the Cu(OH)2 and CuSiO3·H2O models provided plausible predictions.
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Date Issued: 2008
Identifier: CFE0002001, ucf:47621
Format: Document (PDF)
PURL: http://purl.flvc.org/ucf/fd/CFE0002001

Corrosion Inhibitor (3)	+ -
corrosion control (3)	+ -
corrosion inhibitor (3)	+ -
Corrosion (2)	+ -
Drinking Water Distribution System (2)	+ -

distribution system (2)	+ -
drinking water distribution system (2)	+ -
inhibitors (2)	+ -
lead and copper rule (2)	+ -
linear polarization resistance (2)	+ -
malaria (2)	+ -
water quality (2)	+ -
Amyloid fibril (1)	+ -
Anion Exchange (1)	+ -
BP-1-102 (1)	+ -
Beta sheet inhibitor (1)	+ -
Corrosion Control (1)	+ -
Covalent Inhibitors (1)	+ -
Crohn's disease (1)	+ -
DFMO (1)	+ -
Drinking Water (1)	+ -
Drinking Water Quality (1)	+ -
Drosophila imaginal discs (1)	+ -
H-bond occupancy (1)	+ -
Iron Release (1)	+ -
Irreversible inhibitors (1)	+ -
Langelier Saturation Index (1)	+ -
Lead and Copper Rule (1)	+ -
MD simulation (1)	+ -
MM-PBSA binding free energy (1)	+ -

ETD Collection (16)	+ -
Honors Collection (3)	+ -

University of Central Florida (19)	+ -
Duranceau, Steven (5)	+ -
Randall, Andrew (3)	+ -
Taylor, James (3)	+ -
Cornett, Evan (2)	+ -

Kolpashchikov, Dmitry (2)	+ -
Ye, Jingdong (2)	+ -
, (1)	+ -
Alshehri, Abdulrahman (1)	+ -
Alvarez, Angel (1)	+ -
Balde, Zarina Marie G (1)	+ -
Ballantyne, John (1)	+ -
Berhanu, Workalemahu (1)	+ -
Cao, Brent L (1)	+ -
Chakrabarti, Debopam (1)	+ -
DaSilva, Thiago Gaspar (1)	+ -
Dever, Kimberly (1)	+ -
Dobopam Chakrabarti, Dr (1)	+ -
Guan, Xiaotao (1)	+ -
Jeffery, Samantha (1)	+ -
Lee, Woo Hyoung (1)	+ -
Lintereur, Phillip (1)	+ -
MacNevin, David (1)	+ -
Masunov, Artem (1)	+ -
Myers, Samantha (1)	+ -
Naser, Saleh A. (1)	+ -
Nizam, Sabiha (1)	+ -
Phanstiel, Otto (1)	+ -
Sadmani, A H M Anwar (1)	+ -
Schulte, Alfons (1)	+ -

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